2-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1-adamantylcarbamoylamino)-1-piperidyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-[[(1-adamantylamino)-oxomethyl]amino]-1-piperidinyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-(1-adamantylcarbamoylamino)piperidino]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C25H35N5O5 MolecularWeight: 485.5759

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C25H35N5O5/c1-35-20-2-3-21(22(11-20)30(33)34)27-23(31)15-29-6-4-19(5-7-29)26-24(32)28-25-12-16-8-17(13-25)10-18(9-16)14-25/h2-3,11,16-19H,4-10,12-15H2,1H3,(H,27,31)(H2,26,28,32)